Geometry & MOs

Info

ID:	64331
PubChem CID:	29199165
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	458.133651
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	4.71
IP(EA), eV:	-8.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C)OC

DOS

IR

Vibrations